4OXF

Structure of ECP in complex with citrate ions at 1.50 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 2 2
Unit cell lengths	62.535, 62.535, 175.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.882 - 1.500
R-factor	0.1986
Rwork	0.197
R-free	0.23140
RMSD bond length	0.007
RMSD bond angle	1.149
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.530	1.620
High resolution limit [Å]	1.500	1.500
Rmerge	0.030
Number of reflections	61922
<I/σ(I)>	32.3	3.8
Completeness [%]	99.3	100
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	Protein resuspended in sodium cacodylate buffer (20mM, pH5.0). 1 uL of protein sample was mixed with 1 uL of crystallisation buffer (0.1M sodium citrate pH5.2, 8% Jeffamine M-600, 10mM iron(III) chloride)